Vitas-M small molecule compound

2-(3-chloro-2-methylphenyl)-6-nitro-4-(2,2,2-trifluoroethoxy)-1,2-benzothiazol-3(2H)-one

Catalog ID
STK779993
SMILES [O-][N+](=O)c1cc(OCC(F)(F)F)c2c(c1)sn(c2=O)c1cccc(c1C)Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C16H10ClF3N2O4S MW 418.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10ClF3N2O4S/c1-8-10(17)3-2-4-11(8)21-15(23)14-12(26-7-16(18,19)20)5-9(22(24)25)6-13(14)27-21/h2-6H,7H2,1H3
InChIKey
DXDXEHZMRORZAQ-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc(OCC(F)(F)F)c2c(c1)sn(c2=O)c1cccc(c1C)Cl
2(3CHLORANYL2METHYLPHENYL)6NITRO4(222TRIS(FLUORANYL)ETHOXY)12BENZOTHIAZOL3ONE
2(3chloro2methylphenyl)6nitro4(222trifluoroethoxy)12benzothiazol3(2H)one
2(3CHLORO2METHYLPHENYL)6NITRO4(222TRIFLUOROETHOXY)12BENZOTHIAZOL3ONE
2(3CHLORO2METHYLPHENYL)6NITRO4(222TRIFLUOROETHOXY)2HYDROBENZO(D)ISOTHIAZOL3ONE
CC1=C(C=CC=C1Cl)N2C(=O)C3=C(C=C(C=C3S2)(N+)(=O)(O))OCC(F)(F)F
InChI=1SC16H10ClF3N2O4Sc1810(17)32411(8)2115(23)1412(26716(1819)20)59(22(24)25)613(14)2721h26H7H21H3
MFCD05859600
ZINC000001430603
ZINC01430603
ZINC1430603

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Available files

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